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Hydrostatic pressure on XLiH3 (X = Ba, Sr, Ca) perovskite hydrides: An insight into structural, thermo-elastic and ultrasonic properties through first-principles investigation

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Published in 2021 at "Solid State Communications"

DOI: 10.1016/j.ssc.2021.114222

Abstract: Abstract Density functional theory based first-principles investigation on structural, elastic, ultrasonic and thermodynamic properties of cubic perovskite hydrides XLiH3 (X = Ba, Sr, Ca) at ambient and high pressures is reported in this study. The evaluated structural… read more here.

Keywords: first principles; principles investigation; pressure; hydrostatic pressure ... See more keywords